Dear Forum,
I kindly wanted to ask whether the NMR shielding calculations via the LCHIMAG routine are GPU accelerated ?
Is there an overwiew that shows which routines are accelerated?
Best regards,
Matthias
Are the LCHIMAG routines GPU accelerated
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Re: Are the LCHIMAG routines GPU accelerated
Dear Matthias,
As far as I can see inside the nmr.F file, several routines have OpenACC support. You can find which by searching for "_OPENACC" inside the file.
Kind regards,
Pedro
As far as I can see inside the nmr.F file, several routines have OpenACC support. You can find which by searching for "_OPENACC" inside the file.
Kind regards,
Pedro